dinonyl phthalate dinonyl phthalate

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:84-76-4

mdl number:mfcd00036237

einecs number:201-560-0

rtecs number:ti1800000

brn number:1916263

pubchem id:none

physical property data

1. properties: colorless or light yellow clear viscous liquid, special odor, neutral reaction

2. density (g/ml, 25/4℃): 0.964

3. density (g/ml, 20/4℃): 0.975

4. melting point (ºc): -52

5. boiling point (ºc, 0.665kpa): 246

6. boiling point (ºc, 0.133kpa): 205～220

7. refractive index (20ºc): 1.4839

8. flash point (ºc) :218

9. boiling point (ºc): 250^2.5

10. vapor pressure (kpa, 25ºc): undetermined

11. saturated vapor pressure (kpa, 60ºc): undetermined

12. heat of combustion (kj/mol): undetermined

13. critical temperature (ºc): undetermined

14. critical pressure (kpa): undetermined

15. log value of oil-water (octanol/water) partition coefficient: undetermined

16. explosion upper limit (%, v/v): undetermined

17. explosion lower limit (%, v/v): undetermined

18. solubility: can be mixed with a variety of organic solvent miscible, insoluble in water.

toxicological data

acute toxicity: rat ld50: 18mg/kg; mouse ld50: 21500mg/kg;

mouse ld50: 21500mg/kg; pig caliber ld50: 21500mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index: 123.92

2. molar volume (cm³/mol): 429.3

3. isotonic specific volume (90.2k ): 1053.5

4. surface tension (dyne/cm): 36.2

5. polarizability (10^-24cm³): 49.12

calculate chemical numbers�

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 20

5. number of tautomers: none

6. topological molecule polar surface area 52.6

7. number of heavy atoms: 30

8. surface charge: 0

9. complexity: 395

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

colorless liquid.

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

it is derived from the esterification of phthalic acid and n-nonanol.

purpose

it is a plasticizer for polyvinyl chloride and other vinyl plastics, and is also used as a fixed phase for gas-liquid chromatography analysis.